ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 398471-51-7) is a chemical compound with molecular formula C28H31ClN2O3 and molecular weight 478.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
Also Known As: ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate, ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H31ClN2O3 |
|---|---|
| Molecular Weight | 478.20 g/mol |
| LogP | 5.8828 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.20233 |
| Heavy Atoms | 34 |
| Complexity | 1177.1368 |
Chemical Identifiers
| CAS Number | 398471-51-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)N(C(=C2C(=O)OCC)N)C4=CC=C(C=C4)Cl |
Product Overview
ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 398471-51-7), with molecular formula C28H31ClN2O3 and molecular weight 478.20 g/mol. IUPAC: ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 5.8828 indicates that ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 398471-51-7.
What is the molecular formula of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C28H31ClN2O3.
What is the molecular weight of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 478.20 g/mol.
Where can I buy ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.